set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library") set(PLUMED_MODE_VALUES static shared runtime) set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES}) validate_option(PLUMED_MODE PLUMED_MODE_VALUES) string(TOUPPER ${PLUMED_MODE} PLUMED_MODE) set(PLUMED_LINK_LIBS) if(PLUMED_MODE STREQUAL "STATIC") find_package(LAPACK REQUIRED) find_package(BLAS REQUIRED) find_package(GSL REQUIRED) list(APPEND PLUMED_LINK_LIBS ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} GSL::gsl) find_package(ZLIB QUIET) if(ZLIB_FOUND) list(APPEND PLUMED_LINK_LIBS ZLIB::ZLIB) endif() find_package(FFTW3 QUIET) if(FFTW3_FOUND) list(APPEND PLUMED_LINK_LIBS FFTW3::FFTW3) endif() endif() find_package(PkgConfig QUIET) set(DOWNLOAD_PLUMED_DEFAULT ON) if(PKG_CONFIG_FOUND) pkg_check_modules(PLUMED QUIET plumed) if(PLUMED_FOUND) set(DOWNLOAD_PLUMED_DEFAULT OFF) endif() endif() option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" ${DOWNLOAD_PLUMED_DEFAULT}) if(DOWNLOAD_PLUMED) if(BUILD_MPI) set(PLUMED_CONFIG_MPI "--enable-mpi") set(PLUMED_CONFIG_CC ${CMAKE_MPI_C_COMPILER}) set(PLUMED_CONFIG_CXX ${CMAKE_MPI_CXX_COMPILER}) else() set(PLUMED_CONFIG_MPI "--disable-mpi") set(PLUMED_CONFIG_CC ${CMAKE_C_COMPILER}) set(PLUMED_CONFIG_CXX ${CMAKE_CXX_COMPILER}) endif() if(BUILD_OMP) set(PLUMED_CONFIG_OMP "--enable-openmp") else() set(PLUMED_CONFIG_OMP "--disable-openmp") endif() message(STATUS "PLUMED download requested - we will build our own") if(PLUMED_MODE STREQUAL "STATIC") set(PLUMED_BUILD_BYPRODUCTS "/lib/libplumed.a") elseif(PLUMED_MODE STREQUAL "SHARED") set(PLUMED_BUILD_BYPRODUCTS "/lib/libplumed${CMAKE_SHARED_LIBRARY_SUFFIX};/lib/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}") elseif(PLUMED_MODE STREQUAL "RUNTIME") set(PLUMED_BUILD_BYPRODUCTS "/lib/libplumedWrapper.a") endif() set(PLUMED_URL "https://github.com/plumed/plumed2/releases/download/v2.7.1/plumed-src-2.7.1.tgz" CACHE STRING "URL for PLUMED tarball") set(PLUMED_MD5 "4eac6a462ec84dfe0cec96c82421b8e8" CACHE STRING "MD5 checksum of PLUMED tarball") mark_as_advanced(PLUMED_URL) mark_as_advanced(PLUMED_MD5) include(ExternalProject) ExternalProject_Add(plumed_build URL ${PLUMED_URL} URL_MD5 ${PLUMED_MD5} BUILD_IN_SOURCE 1 CONFIGURE_COMMAND /configure --prefix= ${CONFIGURE_REQUEST_PIC} --enable-modules=all ${PLUMED_CONFIG_MPI} ${PLUMED_CONFIG_OMP} CXX=${PLUMED_CONFIG_CXX} CC=${PLUMED_CONFIG_CC} BUILD_BYPRODUCTS ${PLUMED_BUILD_BYPRODUCTS} ) ExternalProject_get_property(plumed_build INSTALL_DIR) add_library(LAMMPS::PLUMED UNKNOWN IMPORTED) add_dependencies(LAMMPS::PLUMED plumed_build) if(PLUMED_MODE STREQUAL "STATIC") set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/libplumed.a INTERFACE_LINK_LIBRARIES "${PLUMED_LINK_LIBS};${CMAKE_DL_LIBS}") elseif(PLUMED_MODE STREQUAL "SHARED") set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/libplumed${CMAKE_SHARED_LIBRARY_SUFFIX} INTERFACE_LINK_LIBRARIES "${INSTALL_DIR}/lib/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX};${CMAKE_DL_LIBS}") elseif(PLUMED_MODE STREQUAL "RUNTIME") set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_DEFAULT_KERNEL=${INSTALL_DIR}/lib/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}") set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/libplumedWrapper.a INTERFACE_LINK_LIBRARIES "${CMAKE_DL_LIBS}") endif() set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_INCLUDE_DIRECTORIES ${INSTALL_DIR}/include) file(MAKE_DIRECTORY ${INSTALL_DIR}/include) else() find_package(PkgConfig REQUIRED) pkg_check_modules(PLUMED REQUIRED plumed) add_library(LAMMPS::PLUMED INTERFACE IMPORTED) if(PLUMED_MODE STREQUAL "STATIC") include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static) elseif(PLUMED_MODE STREQUAL "SHARED") include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.shared) elseif(PLUMED_MODE STREQUAL "RUNTIME") set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_DEFAULT_KERNEL=${PLUMED_LIBDIR}/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}") include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.runtime) endif() set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_LINK_LIBRARIES "${PLUMED_LOAD}") set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_INCLUDE_DIRECTORIES "${PLUMED_INCLUDE_DIRS}") endif() target_link_libraries(lammps PRIVATE LAMMPS::PLUMED)